N-[(Z)-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-N'-[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]octanediamide

C24H38N4O2 — CID 100806176

IUPACN-[(Z)-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-N'-[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]octanediamide
SMILESO=C(CCCCCCC(=O)N/N=C\[C@H]1C[C@H]2CC[C@@H]1C2)N/N=C\[C@@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C24H38N4O2/c29-23(27-25-15-21-13-17-7-9-19(21)11-17)5-3-1-2-4-6-24(30)28-26-16-22-14-18-8-10-20(22)12-18/h15-22H,1-14H2,(H,27,29)(H,28,30)/b25-15-,26-16-/t17-,18+,19-,20-,21+,22-/m1/s1
InChIKeyFDSJIPNXQKFKCI-IYJYOYRESA-N
MW414.59 g/mol
LogP4.40
Rot. Bonds11

About N-[(Z)-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-N'-[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]octanediamide

N-[(Z)-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-N'-[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]octanediamide (PubChem CID 100806176) has the molecular formula C24H38N4O2 and a molecular weight of 414.59 g/mol. Its IUPAC name is N-[(Z)-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-N'-[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]octanediamide.

Molecular Properties

Compound NameN-[(Z)-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-N'-[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]octanediamide
PubChem CID100806176
Molecular FormulaC24H38N4O2
Molecular Weight414.59 g/mol
Exact Mass414.30
IUPAC NameN-[(Z)-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-N'-[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]octanediamide
SMILESO=C(CCCCCCC(=O)N/N=C\[C@H]1C[C@H]2CC[C@@H]1C2)N/N=C\[C@@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C24H38N4O2/c29-23(27-25-15-21-13-17-7-9-19(21)11-17)5-3-1-2-4-6-24(30)28-26-16-22-14-18-8-10-20(22)12-18/h15-22H,1-14H2,(H,27,29)(H,28,30)/b25-15-,26-16-/t17-,18+,19-,20-,21+,22-/m1/s1
InChIKeyFDSJIPNXQKFKCI-IYJYOYRESA-N
XLogP4.40
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.59
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(2-bicyclo[2.2.1]heptanylmethylideneamino)hexanediamide
CID 3645839
N-(2-bicyclo[2.2.1]heptanylmethylideneamino)decanamide
CID 4197007
N-[(Z)-2-bicyclo[2.2.1]heptanylmethylideneamino]cyclopropanecarboxamide
CID 6163235
N-[(Z)-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]cyclohexanecarboxamide
CID 51028154
N-[(Z)-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]adamantane-1-carboxamide
CID 7438142
N,N'-bis[(Z)-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-2-(3-methylbutyl)propanediamide
CID 98275412
N-[(E)-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-N'-[(E)-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-2-(3-methylbutyl)propanediamide
CID 98275419
(2-bicyclo[2.2.2]octanylmethylideneamino)urea
CID 165355280
N-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]naphthalene-1-carboxamide
CID 129439089
N-(2-bicyclo[2.2.1]heptanylmethylideneamino)-2-bromobenzamide
CID 3098524
N-[(Z)-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]furan-2-carboxamide
CID 7290216
N-[(Z)-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 6982485

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-N'-[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]octanediamide?
The IUPAC name of N-[(Z)-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-N'-[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]octanediamide (CID 100806176) is N-[(Z)-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-N'-[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]octanediamide.
What is the SMILES notation for N-[(Z)-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-N'-[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]octanediamide?
The canonical SMILES for N-[(Z)-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-N'-[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]octanediamide is O=C(CCCCCCC(=O)N/N=C\[C@H]1C[C@H]2CC[C@@H]1C2)N/N=C\[C@@H]1C[C@@H]2CC[C@@H]1C2.
What is the InChIKey of N-[(Z)-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-N'-[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]octanediamide?
The InChIKey is FDSJIPNXQKFKCI-IYJYOYRESA-N. The full InChI is InChI=1S/C24H38N4O2/c29-23(27-25-15-21-13-17-7-9-19(21)11-17)5-3-1-2-4-6-24(30)28-26-16-22-14-18-8-10-20(22)12-18/h15-22H,1-14H2,(H,27,29)(H,28,30)/b25-15-,26-16-/t17-,18+,19-,20-,21+,22-/m1/s1.
What are the key properties of N-[(Z)-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-N'-[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]octanediamide?
N-[(Z)-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-N'-[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]octanediamide has a molecular weight of 414.59 g/mol, XLogP of 4.40, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-N'-[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]octanediamide is sourced from PubChem (CID 100806176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).